Sr3(GaIr)4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1095369 · Space group: I-43m (#217)

Materials Project API

Basic Information

Formula

Sr3(GaIr)4

MP-ID

mp-1095369

Elements

Sites

Density

9.3167

g/cm³

Volume

233.59

Å³

Cell a

6.7199

Cell b

6.7199

Cell c

6.7199

α Angle

109.47

β Angle

109.47

γ Angle

109.47

Space Group

I-43m

Point Group

-43m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

Packing Fraction

0.6802

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
16.15	5.4868	25.0	(0,1,0)
16.15	5.4868	100.0	(1,-1,0)
16.15	5.4868	25.0	(1,0,-1)
28.17	3.1678	18.0	(1,-2,0)
28.17	3.1678	9.0	(1,-2,1)
28.17	3.1678	9.0	(2,-1,0)
28.17	3.1678	18.0	(2,-1,-1)
32.64	2.7434	8.7	(0,2,0)
32.64	2.7434	34.9	(2,-2,0)
32.64	2.7434	8.7	(2,0,-2)
36.62	2.4538	23.0	(1,2,-1)
36.62	2.4538	92.0	(2,-2,1)
36.62	2.4538	23.0	(2,1,-2)
40.26	2.2400	24.9	(1,-3,1)
40.26	2.2400	24.9	(3,-1,-1)
43.65	2.0738	16.9	(1,-3,0)
43.65	2.0738	16.9	(2,-3,0)
43.65	2.0738	16.9	(2,-3,1)
43.65	2.0738	16.9	(3,-2,0)
43.65	2.0738	16.9	(3,-2,-1)
43.65	2.0738	16.9	(3,-1,-2)
46.83	1.9399	11.3	(2,2,-2)
49.86	1.8289	4.7	(0,3,0)
49.86	1.8289	14.4	(2,-3,-1)

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Energy Properties

Formation Energy/atom

-0.64012

eV/atom

Energy/atom

-27.97153

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.9715

eV/atom

Volume/atom

21.24

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ga · 0.364

Element Family

PostTransition-Noble

Solute Fraction

0.636

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0901

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.0628

J/mol·K

Ω Parameter

2.6076

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

18.766%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4984

smaller = more stable mixing

VEC

4.909

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.840

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9922

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.409

Family

Ga-rich Multi-Component

Matrix Element

Ga · 0.364

Related Tasks

Related computation task IDs (5)

aaadncny aaadsyzi aaaektip aaaeucuj aaafcdls

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1095369

Reference Citation

The crystal structure and related material properties of Sr3(GaIr)4 were obtained from the Materials Project database (MP-ID: mp-1095369, database version v2026.04.13).

Literature Citation

Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0

3D Crystal Structure Rendering

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Sr3(GaIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71987226
_cell_length_b   6.71989491
_cell_length_c   6.71987226
_cell_angle_alpha   109.47122213
_cell_angle_beta   109.47108112
_cell_angle_gamma   109.47122213
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3(GaIr)4
_chemical_formula_sum   'Sr3 Ga4 Ir4'
_cell_volume   233.59490040
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sr  Sr0  1  0.00000061  0.50000000  0.50000061  1.0
  Sr  Sr1  1  0.50000110  -0.00000000  0.50000110  1.0
  Sr  Sr2  1  0.50000061  0.50000000  0.00000061  1.0
  Ga  Ga3  1  0.61733952  0.61733995  0.61733952  1.0
  Ga  Ga4  1  -0.00000035  -0.00000000  0.38265962  1.0
  Ga  Ga5  1  -0.00000042  0.38266005  -0.00000042  1.0
  Ga  Ga6  1  0.38265962  -0.00000000  -0.00000035  1.0
  Ir  Ir7  1  0.25625869  0.25625865  0.25625869  1.0
  Ir  Ir8  1  -0.00000002  -0.00000000  0.74374159  1.0
  Ir  Ir9  1  0.00000004  0.74374135  0.00000004  1.0
  Ir  Ir10  1  0.74374159  -0.00000000  -0.00000002  1.0

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